N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride

C20H20ClN3O3S — CID 142694484

IUPACN-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride
SMILESCNCCOc1cccc2c1cnn2S(=O)(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H19N3O3S.ClH/c1-21-11-12-26-20-8-4-7-19-18(20)14-22-23(19)27(24,25)17-10-9-15-5-2-3-6-16(15)13-17;/h2-10,13-14,21H,11-12H2,1H3;1H
InChIKeyNEOMLKAMOQSIAS-UHFFFAOYSA-N
MW417.92 g/mol
LogP3.45
Rot. Bonds6

About N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride

N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride (PubChem CID 142694484) has the molecular formula C20H20ClN3O3S and a molecular weight of 417.92 g/mol. Its IUPAC name is N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride
PubChem CID142694484
Molecular FormulaC20H20ClN3O3S
Molecular Weight417.92 g/mol
Exact Mass417.09
IUPAC NameN-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride
SMILESCNCCOc1cccc2c1cnn2S(=O)(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H19N3O3S.ClH/c1-21-11-12-26-20-8-4-7-19-18(20)14-22-23(19)27(24,25)17-10-9-15-5-2-3-6-16(15)13-17;/h2-10,13-14,21H,11-12H2,1H3;1H
InChIKeyNEOMLKAMOQSIAS-UHFFFAOYSA-N
XLogP3.45
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride?
The IUPAC name of N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride (CID 142694484) is N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride is CNCCOc1cccc2c1cnn2S(=O)(=O)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride?
The InChIKey is NEOMLKAMOQSIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S.ClH/c1-21-11-12-26-20-8-4-7-19-18(20)14-22-23(19)27(24,25)17-10-9-15-5-2-3-6-16(15)13-17;/h2-10,13-14,21H,11-12H2,1H3;1H.
What are the key properties of N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride?
N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride has a molecular weight of 417.92 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-naphthalen-2-ylsulfonylindazol-4-yl)oxyethanamine;hydrochloride is sourced from PubChem (CID 142694484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).